Third-Order Optical Nonlinearity in Two-Dimensional Transition Metal Dichalcogenides

We present a detailed calculation of the linear and nonlinear optical response of four types of monolayer twodimensional (2D) transition-metal dichalcogenides (TMDCs), having the formula MX₂ with M=Mo, W and X=S, Se. The calculations are based on 6-band tight-binding model of TMDCs, and then performing a semi-classical perturbation analysis of response functions. We numerically calculate the linear χ_μν⁽¹⁾ (-ω;ω) and nonlinear surface susceptibility tensors χ_μνζη⁽³⁾(-ω_Σ; ω_r; ω_s; ω_t) with ω_Σ=ω_r+ω_s+ω_t. Both non-degenerate and degenerate cases are studied for thirdharmonic generation and nonlinear refractive index, respectively. Computational results obtained with no external fitting parameters are discussed regarding two recent reported experiments on MoS₂, and thus we can confirm the extraordinarily strong optical nonlinearity of TMDCs. As a possible application, we demonstrate generation of a π/4-rotated squeezed state by means of nonlinear response of TMDCs, in a silica micro-disk resonator covered with the 2D material. Our proposed method will enable accurate calculations of nonlinear optical response, such as four-wave mixing and highharmonic generation in 2D materials and their heterostructures, thus enabling study of novel functionalities of 2D photonic integrated circuits.     

Breit夸克势的不同次正规化与ηc-J/ψ等的质量劈裂

用夸克势模型研究结构相同而自旋和轨道量子数不同的介子之间质量劈裂是检验势模型有效性的重要手段之一. 在以往的用各种夸克势模型计算质量劈裂工作中, 当轻介子和重介子一起计算时, π-ρ很容易劈裂, 而η_c-J/ψ等的劈裂都很 难达到实验值. 这里首先用正规化形状因子μ²/(q²+μ²), 对完整的动量空间中的Breit夸克势的第三项实施二次正规化, 除了第一项 库仑势和第七项常数项势, 对其余的项实施一次正规化, 然后用来计算 质量劈裂. 研究计算发现, 只有当屏蔽质量μ取为关于 折合质量μ_r=m_r m_j/(m_r+m_j) 的三阶多项式时, 轻介子π-ρ和重介子η_c-J/ψ, η_b-Υ(1s), 还有χ_c0-χ_c1-χ_c2 等的劈裂 精确达到实验值, 同时其他介子质量也都比以往得到较大的改善. 因此, 本文给出了一个有效的夸克势模型.     

Structural,Spectroscopic and Vibrational Properties for Low-Lying Electronic States of LiCl

A multireference configuration interaction (MRCI) study has been carried out on the LiCl molecule. The potential energy has been calculated over a wide range of internuclear separation for the 21 low-lying electronic states of the LiCl molecule dissociating into Li (²S, ²P, ³S)+Cl(²P). The (4)¹Σ⁺, (3)¹Π, 1-3³Σ⁺, 1-3³Π, ^1,3Δ, ^1,3Σ^-, (5)¹Σ⁺, (4)³Σ⁺, (4)¹Π, (4)³Π excited states are studied for the first time in theory. Molecular spectroscopic constants (R_e, D_e, ω_e, ω_eχ_e, B_e and α_e) have been derived for the 9 bound states (X¹Σ⁺, (3)¹Σ⁺, (2)¹Σ⁺, ^1,3Δ, ^1,3Σ^-, (4)¹Π, (4)³Π) with a regular shape, and the spectroscopic constants of ground states X¹Σ⁺ are in good agreement with available experimental and theoretical values. The relative differences between experimental values and our values for R_e, D_e, ω_e, ω_eχ_e, B_e and α_e are 1.02%, 0.60%, 1.72%, 9.46%, 2.0%, and 0.75%, respectively. Moreover, vibrational levels of 9 bound states, which have not been investigated experimentally, are computed.     

GeS分子基态和低激发态的势能曲线与光谱性质

本文以aug-cc-pv5Z为基组, 采用考虑Davidson修正的多参考组态相互作用方法(MRCI+Q)得到了GeS分子基态(X¹Σ⁺)和5个低激发态(1¹Σ, 1¹Δ, A¹Π, 1⁵Σ⁺, 2⁵Σ⁺)的势能曲线. 计算结果表明: 2⁵Σ⁺态为排斥态, 其余5个态为束缚态; 6个态有着共同的离解通道, 离解极限均为Ge(³P)+S(³P). 利用计算得到的势能曲线得了X¹Σ⁺, 1¹Σ^-, 1¹Δ, A¹Π和1⁵Σ⁺态的垂直跃迁能T_e, 平衡键长R_e, 离解能D_e, 谐振频率ω_e, 非谐性常数ω_ex_e及平衡位置的电偶极矩. X¹Σ⁺态的R_e 为2.034 Å, D_e 为5.728 eV, ω_e为571.73 cm^-1, ω_ex_e为1.6816 cm^-1, 平衡位置的电偶极矩为1.9593 Debye. 激发态1¹Σ, 1¹Δ, A¹Π, 1⁵Σ⁺的T_e 依次为25904.81, 26209.22, 32601.19, 43770.26 cm^-1; R_e依次为2.313, 2.322, 2.188, 2.8790 Å; D_e依次为2.524, 2.487, 1.694, 0.3036 eV, ω_e依次为358.90, 353.08, 376.32, 134.96 cm^-1; ω_ex_e依次为1.2421, 1.2151, 1.6608, 1.9095 cm^-1; 平衡位置的电偶极矩依次为1.3178, 1.4719, 1.5917, -1.9785 Debye. 通过求解核运动的薛定谔方程得到了J=0时X¹Σ⁺, 1¹Σ^-, 1¹Δ, A¹Π和1⁵Σ⁺态前30个振动态的振动能级G_v和分子常数B_v, 得到的结果和已有的实验值及其他理论值符合较好.     

Equilibrium dynamics of the sub-Ohmic spin-boson model under bias

Using the bosonic numerical renormalization group method, we studied the equilibrium dynamical correlation function C(ω) of the spin operator σ_z for the biased sub-Ohmic spin-boson model. The small-ω behavior C(ω) ∝ω~s is found to be universal and independent of the bias ε and the coupling strength α(except at the quantum critical point α = αc and ε = 0). Our NRG data also show C(ω) ∝χ~2ω~s for a wide range of parameters, including the biased strong coupling regime(ε = 0 and α α_c), supporting the general validity of the Shiba relation. Close to the quantum critical point αc,the dependence of C(ω) on α and ε is understood in terms of the competition between ε and the crossover energy scale ω_0~*of the unbiased case. C(ω) is stable with respect to ε for ε《ε~*. For ε》ε~*, it is suppressed by ε in the low frequency regime. We establish that ε~*∝(ω_0~*)~(1/θ)holds for all sub-Ohmic regime 0≤s 1, with θ = 2/(3s) for 0 s≤1/2 and θ = 2/(1 + s) for 1/2 s 1. The variation of C(ω) with α and ε is summarized into a crossover phase diagram on the α–ε plane.     

WKB solution for wave propagation in a time-varying magnetoplasmamedium: longitudinal propagation

The interaction of a right circularly polarized electromagnetic wave of frequency ω₀ with a switched-on-time-varying plasma medium, in the presence of a static magnetic field, is considered. Longitudinal propagation is assumed and ion motion is neglected. The electron density is assumed to vary slowly with time, and the solution is obtained through a WKB approximation. The main effect of switching the time-varying medium is the splitting of the original (incident) wave of frequency ω₀ into three new waves with time-varying frequencies. An exponentially increasing electron density profile is considered to illustrate the solution. The distinguishing feature of the presence of the static magnetic field is the creation of the third wave. The initial value of the instantaneous frequency ω₃ of this wave is equal to the gyrofrequency ω_b, and the final value depends on ω_b, ω₀, and the final value of the plasma frequency. ω₃ decreases with time for the profile under consideration     

Rashba自旋-轨道相互作用影响下量子盘中强耦合磁极化子性质的研究

本文基于Lee-Low-Pines幺正变换法,采用Tokuda改进的线性组合算符法研究了Rashba自旋-轨道相互作用效应下量子盘中强耦合磁极化子的性质.结果表明,磁极化子的相互作用能Eint的取值随量子盘横向受限强度ω0、外磁场的回旋频率ωc、电子-LO声子耦合强度α和量子盘厚度L的变化均与磁极化子的状态性质密切相关;磁极化子的平均声子数N随ωc,ω0和α的增加而增大,随L的增加而振荡减小;在Rashba自旋-轨道相互作用效应影响下磁极化子的有效质量将劈裂为m*+,m*-两种,它们随ωc,ω0和α的增加而增大,随L的增加而振荡减小;在研究量子盘中磁极化子问题时,电子-LO声子耦合和Rashba自旋-轨道相互作用效应的影响不可忽略,但Rashba自旋-轨道相互作用和极化子效应对磁极化子的影响只有在电子运动的速率较慢时显著.     

Tunable two-axis spin model and spin squeezing in two cavities

Multi-mode cavities have now attracted much attention both experimentally and theoretically. In this paper, inspired by recent experiments of cavity-assisted Raman transitions, we realize a two-axis spin Hamiltonian H = q(J_x~2+ χJ_y~2) + ω_0J_z in two cavities. This realized Hamiltonian has a distinct property that all parameters can be tuned independently. For proper parameters, the well-studied one- and two-axis twisting Hamiltonians are recovered, and the scaling of N~(-1) of the maximal squeezing factor can occur naturally. On the other hand, in the two-axis twisting Hamiltonian, spin squeezing is usually reduced when increasing the atomic resonant frequency ω_0. Surprisingly, we find that by combining with the dimensionless parameter χ(-1), this atomic resonant frequency ω_0 can enhance spin squeezing greatly. These results are beneficial for achieving the required spin squeezing in experiments.     

Theoretical Study on the Low-Lying Electronic States of He2, He2+, and He2++

The equilibrium geometries, potential energy curves, spectroscopic dissociation energies of the ground and low-lying electronic states of He₂, He₂⁺ and He₂⁺⁺ are calculated using symmetry adapted cluster/symmetry adapted cluster-configuration interaction (SAC/SAC-CI) method with the basis sets CC-PV5Z. The corresponding dissociation limits for all states are derived based on atomic and molecular reaction statics. The analytical potential energy functions of these states are fitted with Murrell--Sorbie potential energy function from our calculation results. The spectroscopic constants B_e, α _e, ω _e, and ω _e χ _e of these states are calculated through the relationship between spectroscopic data and analytical energy function, which are in well agreement with the experimental data. In addition, the origin of the energy barrier in the ground state X¹Σ_g⁺ of He₂⁺⁺ energy curve are explained using the avoided crossing rules of valence bond model.     

垂直载荷下颗粒物质的声波探测和非线性响应

对于玻璃珠组成的颗粒介质样品,本文测量了横波和纵波声速,同时分析了剪切模量(G)与体积模量(B)的比值(G/B)随压强的变化规律.结果表明,在低压强下,颗粒体系的纵波声速(C_L)明显大于横波声速(c_T),且体系的CL,CT及G/B均随压强p变化呈幂律标度,即CL∝p~(0.3817),CT∝p~(0.2809)G/B∝p~(-0.4539),幂指数与文献[1]中预言的-1/2非常接近,暗示在我们实验压强范围内的颗粒样品处于L玻璃状态.此外,本文还利用快速傅里叶变换法测量了玻璃珠样品中的声学衰减特性及二阶谐波随压强的变化,发现:纵波声衰减系数(α)、接收端二倍频振幅(μ_(2ω))与基频振幅(μ_(1ω))平方的比值(μ_(2ω)/μ_(1ω)~2)均随压强的增大而幂率减小,分别为α∝p~-(-0.1879),和μ_(2ω)/μ_(1ω)~2∝p~(-0.866).     

B→a0(1450)ρ(ω) Decays in Perturbative QCD Approach

In the two-quark model supposition for the meson a₀(1450), which can be viewed as either the first excited state (scenario I) or the lowest lying state (scenario II), the branching ratios and the direct CP-violating asymmetries for decays B→ a₀(1450)ρ(ω) are studied by employing the perturbative QCD factorization approach. We find the following results: (a) For the decays B^- → a⁰₀(1450)ρ^- and \bar{B}⁰ → a⁺₀(1450)ρ^-, their branching ratios have large
difference between two scenarios. Although their branching ratios are larger than other considered decay modes, their direct CP-violatingasymmetries in both scenarios are small. (b) For the decays B^-→ a^-₀(1450)ρ⁰ and \bar{B}⁰→ a^-₀(1450)ρ⁺, a⁰₀(1450)ρ⁰, a⁰₀(1450)ω, their branching ratios are close to each other between two scenarios, respectively. (c) Comparing with the decays \bar{B}⁰ →π⁰ρ⁰,π⁰π⁰, the decay \bar{B}⁰→ a⁰₀(1450)ρ⁰ receives a
larger branching ratio in each scenario, which is sensitive to the variation of the Cabibbo-Kobayashi-Maskawa angleα.     

Cold-Fluid Analysis of the Space-Charge Effects in an Electromagnetically Pumped Free-Electron Laser with an Axial-Guide Magnetic Field

The space-charge effects are analysed and five kinds of fluid waves are obtained in the e-beam density and the axial-current density for an electromagnetically pumped free-electron laser with an axial-guide magnetic field by using the cold-fluid theory. To enhance the gain, the guide field Bo must be in this regime: -2(ω_υ + cβ_x0k_ω) < Ω < -(ω_υ + cβ_x0k_ω), where Ω₀ = eB₀/mr₀ and ω_υ(k_ω) is the frequency (wave number) of the wiggler.     

不同玻璃组分对β-NaYF4:Yb3+,Er3+/Tm3+粉体的侵蚀性研究及对发光性能的影响

选用硅酸盐、硼酸盐以及磷酸盐3种常用的玻璃体系,与β-NaYF₄:Yb³⁺,Er³⁺/Tm³⁺粉体均匀混合压片后在不同的温度(400～700 ℃)下进行热处理。采用X射线衍射技术和荧光光谱技术等测试手段研究不同玻璃形成体以及碱金属离子对β-NaYF₄:Yb³⁺,Er³⁺/Tm³⁺粉体的侵蚀情况以及对发光性能的影响。研究结果表明,在硼酸盐玻璃体系与β-NaYF₄:Yb³⁺,Er³⁺/Tm³⁺粉体复合热处理过程中,Li⁺和K⁺离子会取代β-NaYF₄晶体中Na原子的位置。 在相同热处理温度下,不同玻璃体系与β-NaYF₄晶体反应剧烈程度:磷酸盐>硼酸盐>硅酸盐。     

Excitation of surface plasma waves over metallic surfaces by lasersand electron beams

A laser incident on a metal film (deposited on a glass substrate) from the glass side at a specific angle of incidence, excites a surface plasma wave (SPW) at the metal-free space interface. The ratio of the SPW field to the laser field increases with the laser spot size b attaining a value much greater than one at b>exp(2wα/c) where a is the film thickness and ω is the laser frequency. The SPW (ω, k_z,) can also he excited by a relativistic electron beam, propagating parallel to the interface in the free space region, via Cerenkov interaction when beam energy ϵb=(|ϵ|-1)mc² where ϵ is the effective metal permittivity, and mc² is the electron rest mass energy. When the surface has a ripple of wave number k₀, the SPW (ω, k_zz) can be excited at lower beam energy via sideband coupling, ω=(k_zz +k₀)v_b where v_bzˆ is the beam velocity. In both cases, however, the positioning of the beam in the close proximity of the interface is required. The scheme is useful for the generation of wavelengths longer than 1 μm     

NOTE ON A MCMILLAN-LIKE Tc FORMULA

In this letter, we present an analysis to understand why the McMillan-like T_c fornula: T_c=1.134ωlog(1-1.02μ^*+0.476λ)exp{-1+1.604λ/λ-μ^*(1+0.604μ)}, proposed in a previous paper by the authcrs,applies to crystalline superconductors satisfactorily but Iess satisfactorily to non-crystalline ones.     

宏观放电参数对快原子态氮(N+,Nf)的影响

采用氮直流辉光放电等离子体中快电子和重粒子(N₂⁺,N⁺,N_f)混合的蒙特卡罗方法,模拟研究了快原子态粒子(N⁺,N_f)的产生率及轰击阴极的能量分布随宏观放电参数(P,V)的变化规律.结果表明,存在一最佳放电条件,使阴极壁处粒子(N⁺,N_f)的粒子数密度大且能量高;当电压大于800V时,轰击阴极的活性粒子(N⁺,N_f),主要由N₂⁺-N₂离解过程产生,电压小于300V时,主要由e^--N₂离解过程产生,模拟结果与实验结果相符合.     

坐标空间中构造的Breit夸克势与介子和夸克偶素的质量劈裂

构造夸克间的有效的相互作用势函数是强子物理中的重要研究课题,也是学科前沿问题之一.本文对坐标空间中的Breit夸克势函数的完整形式实施消除奇异因子的替代方法,构造出一个有效的夸克势.除了第一项库仑势和第七项常数项势,对其他的项都需进行重新构造,即对第二项和第四项做δ(r)→μ~3e~(-μr)/8π替代,对第三项做1/r→(1-e-μr)/r替代,对第五项和第六项做1/r~3→1-(1+μr)e~(-μr)/r~3替代,由此重新构造出新的势函数,然后用来计算质量劈裂,检验构造势的有效性.为此计算了一组含重介子和夸克偶素的质量劈裂.计算中屏蔽质量μ不是简单的常数,而是取与夸克质量m_i,m_j有关的变量.研究计算发现,只有当屏蔽质量μ取为关于夸克平均质量μ_a=(m_i+m_j)/2的洛朗级数形式μ=c_(-3)(μ_a+0.512)-3+c_(-2)(μ_a+0.512)~(-2)+c_(-1)(μ_a+0.512)~(-1)+c_0+c_1(μ_a+0.512)时重介子η_c-J/ψ,η_b-Υ(1s),还有χ_(c0)-χ_(c1)-χ_(c2)等的夸克偶素之间质量劈裂精确达到实验值,同时其他介子尤其是6个D介子质量精度都比以往得到较大幅度的改善.因此,本文构造出一个有效的夸克势模型.     

BeC分子基态和低激发态光谱性质和解析势能函数

BeC是一个具有丰富低激发电子态的分子,本文基于动态权重完全活性空间自冾场方法获得的参考波函数,采用多参考组态相互作用方法对BeC分子进行高精度的从头计算,获得了BeC分子X~3Σ~-,A~3Π,b~1Δ,c~1Π和d~1Σ~+共5个电子态的势能曲线.为了获得精确的光谱结果,在计算中考虑了标量相对论效应修正,并把相互作用能外推至完全基组极限.在此基础上获得了这些态的光谱常数和偶极距,以及一些允许跃迁的跃迁偶极距、弗兰克-康登因子和辐射寿命.最后,通过扩展的Rydberg函数拟合获得了基态势能曲线精确的解析表达式.     

Li+离子掺杂对红色发光材料Y2(W,Mo)O6:Eu3+发光性能的影响

采用高温固相法制备了荧光粉Y2-x(W,Mo)O6:Eu3+,xLi+,利用X射线衍射仪和电子扫描显微镜对样品的结构和形貌进行了表征,并利用荧光光谱法分析了样品的光谱特性.首先在Y2WO6中掺入少量的Mo6+离子,掺入Mo6+后增加了原Y2WO6:Eu3+的激发光谱在近紫外光区的吸收,扩展了激发光谱的谱宽,但却使Y2W...     

Acoustic double layers in multispecies plasma

Particle simulation in a one-dimensional bounded system is used to examine the formation of acoustic double layers in the presence of two ion species. Double-layer formation depends critically on the details of the distribution functions of the supporting ion populations, and their relative drifts with respect to the electrons. The effect of having two ion components, an H⁺ and an O⁺ beam, on double-layer evolution from ion acoustic turbulence driven by an electron drift relative to the H⁺ beam of ≈0.5u _e, where uu_e is the electron thermal speed, is examined. The ratio of ion drifts is taken to be consistent with acceleration by a quasi-static auroral potential drop (i.e. V _H/V_O=√M_O/ M_H=4.0). Acoustic double layers form in either ion species on the time scale τ≈100ω_ps^-1, where ω_ps is the ion plasma frequency for species `s' and s=H or O, and for drifts relative to the electrons lower than that required for double layer formation in simulations of single ion component plasma